[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-bromophenyl)methanone

Systemtic Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-bromophenyl)methanone Openeye Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-bromophenyl)methanone CAS Name: [4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-(3-bromophenyl)methanone IUPAC Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-bromophenyl)methanone Traditional Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-(3-bromophenyl)methanone Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H19BrN4O3/c23-17-3-1-2-16(12-17)22(28)27-10-8-26(9-11-27)21-7-5-18(24-25-21)15-4-6-19-20(13-15)30-14-29-19/h1-7,12-13H,8-11,14H2